MolNFT v1 · #49180 · protein
Cryptosporidium parvum calcium dependent protein kinase CGD7_1840
2QG5 · CALCIUM/CALMODULIN-dependent protein kinase: “Cryptosporidium parvum calcium dependent protein kinase CGD7_1840”. X-ray diffraction, 6 pockets (best druggability 0.71). MolNFT v1 #49180 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2QG5
- Type
- protein
- Length
- 850 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase
- UniProt
- Q5CYL9
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase | protein | 285 | 34% helix, 20% strand | Q5CYL9 |
| B | CALCIUM/CALMODULIN-dependent protein kinase | protein | 281 | 35% helix, 21% strand | Q5CYL9 |
| D | CALCIUM/CALMODULIN-dependent protein kinase | protein | 284 | 35% helix, 21% strand | Q5CYL9 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 557 | 0.71 | 0.80 | 63 | empty |
| 2 | 805 | 0.69 | 0.75 | 47 | empty |
| 3 | 312 | 0.61 | 0.78 | 34 | empty |
| 4 | 264 | 0.59 | 0.78 | 31 | empty |
| 5 | 299 | 0.57 | 0.76 | 33 | empty |
Interfaces
3 interfaces between chains.
- A–B · 612 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 514 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 144 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 2QG5 · Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 · the same entry in another collection · chain D against D, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q5CYL9
- Elsewhere: RCSB PDB 2QG5 · PDBe 2QG5 · UniProt Q5CYL9
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